SCHEMBL2461566

SCHEMBL2461566

CCc1ccccc1Nc1ncnc2[nH]c(C)c(C)c12

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.68
ABL1 P00519 5/20 0.63
ABL2 P42684 5/20 0.63
PRKCA P17252 1/20 0.63
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KDR P35968 1/20 0.47
GAA P10253 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2460975 0.82 EGFR (0.73) EGFRABL1ABL2PRKCA
SCHEMBL2461532 0.81 EGFR (1.00) EGFRABL1ABL2PRKCA
SCHEMBL2461344 0.77 EGFR (1.00) EGFRABL1ABL2PRKCAKDR
SCHEMBL2458457 0.76 EGFR (1.00) EGFRABL1ABL2PRKCAKDR
SCHEMBL3794273 0.75 MAPK1 (0.64) MEN1KMT2AGAA
SCHEMBL2461045 0.73 EGFR (0.67) EGFRABL1ABL2PRKCAKDR
SCHEMBL3802570 0.73 PIP4K2C (0.53) EGFRMEN1KMT2AGAA
SCHEMBL2461249 0.72 EGFR (1.00) EGFRABL1ABL2PRKCAKDR
SCHEMBL5357967 0.71 KMT2A (0.57) EGFRMEN1KMT2AGAA
Hydrochloric Acid SCHEMBL7496318 0.70 EGFR (0.97) EGFRABL1ABL2PRKCAMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041137-B1 PYRROLOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2011-09-28 EP claimed
EP-2041137-B1 PYRROLOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2011-09-28 EP disclosed